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Compound Detail

CHEMBL28797

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CCCCC1CCc2ccc(OCc3ccc4ccccc4n3)cc2C1O

Basic Information

ChEMBL ID CHEMBL28797
Phase Preclinical
Structure Type MOL
InChI Key HAAKJHPJDSOUSI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

361.5
MW (Da)
5.60
ALogP
3
HBA
1
HBD
42.4
PSA (Ų)
0.62
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H27NO2
MW 361.49
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness 0.13

Activity Summary

Ki 1 meas. best 5.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cysteinyl leukotriene receptor 1
CHEMBL5645
Ki 5.17 5.17 6800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cysteinyl leukotriene receptor 1 Ki = 6800.0 nM 5.17 Inhibition of [3H]LTD4 binding to LTD4 receptor in guinea pig lung membranes -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(95)00225-I Cysteinyl leukotriene receptor 1 1

Data from ChEMBL 36 via Core Engine